N-butyl-N-ethyl-2-hydroxy-2-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)acetamide

C13H23N3O2S — CID 70509626

IUPACN-butyl-N-ethyl-2-hydroxy-2-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)acetamide
SMILESCCCCN(CC)C(=O)C(O)c1nc(C(C)C)ns1
InChIInChI=1S/C13H23N3O2S/c1-5-7-8-16(6-2)13(18)10(17)12-14-11(9(3)4)15-19-12/h9-10,17H,5-8H2,1-4H3
InChIKeyLPFRLBOMNAEGHS-UHFFFAOYSA-N
MW285.41 g/mol
LogP2.34
Rot. Bonds7

About N-butyl-N-ethyl-2-hydroxy-2-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)acetamide

N-butyl-N-ethyl-2-hydroxy-2-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)acetamide (PubChem CID 70509626) has the molecular formula C13H23N3O2S and a molecular weight of 285.41 g/mol. Its IUPAC name is N-butyl-N-ethyl-2-hydroxy-2-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)acetamide.

Molecular Properties

Compound NameN-butyl-N-ethyl-2-hydroxy-2-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)acetamide
PubChem CID70509626
Molecular FormulaC13H23N3O2S
Molecular Weight285.41 g/mol
Exact Mass285.15
IUPAC NameN-butyl-N-ethyl-2-hydroxy-2-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)acetamide
SMILESCCCCN(CC)C(=O)C(O)c1nc(C(C)C)ns1
InChIInChI=1S/C13H23N3O2S/c1-5-7-8-16(6-2)13(18)10(17)12-14-11(9(3)4)15-19-12/h9-10,17H,5-8H2,1-4H3
InChIKeyLPFRLBOMNAEGHS-UHFFFAOYSA-N
XLogP2.34
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.41
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-Hydroxy-1-[4-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)methyl]piperazin-1-yl]ethanone
CID 138027698
N-cyclohexyl-2-hydroxy-N-methyl-2-[3-(trichloromethyl)-1,2,4-thiadiazol-5-yl]acetamide
CID 70487920
2-hydroxy-N-methoxy-N-(2-methylpropyl)-2-[3-(trichloromethyl)-1,2,4-thiadiazol-5-yl]acetamide
CID 88672301

Frequently Asked Questions

What is the IUPAC name of N-butyl-N-ethyl-2-hydroxy-2-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)acetamide?
The IUPAC name of N-butyl-N-ethyl-2-hydroxy-2-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)acetamide (CID 70509626) is N-butyl-N-ethyl-2-hydroxy-2-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)acetamide.
What is the SMILES notation for N-butyl-N-ethyl-2-hydroxy-2-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)acetamide?
The canonical SMILES for N-butyl-N-ethyl-2-hydroxy-2-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)acetamide is CCCCN(CC)C(=O)C(O)c1nc(C(C)C)ns1.
What is the InChIKey of N-butyl-N-ethyl-2-hydroxy-2-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)acetamide?
The InChIKey is LPFRLBOMNAEGHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2S/c1-5-7-8-16(6-2)13(18)10(17)12-14-11(9(3)4)15-19-12/h9-10,17H,5-8H2,1-4H3.
What are the key properties of N-butyl-N-ethyl-2-hydroxy-2-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)acetamide?
N-butyl-N-ethyl-2-hydroxy-2-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)acetamide has a molecular weight of 285.41 g/mol, XLogP of 2.34, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-ethyl-2-hydroxy-2-(3-propan-2-yl-1,2,4-thiadiazol-5-yl)acetamide is sourced from PubChem (CID 70509626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).